Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory.

S.J.A. van Gisbergen; C. Fonseca Guerra; E.J. Baerends

doi:10.1002/1096-987X(200012)21:16<1511::AID-JCC8>3.3.CO;2-3

Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory.

S.J.A. van Gisbergen, C. Fonseca Guerra, E.J. Baerends

Theoretical Chemistry

Research output: Contribution to Journal › Article › Academic › peer-review

Original language	English
Pages (from-to)	1511-1523
Number of pages	12
Journal	Journal of Computational Chemistry
Volume	21
DOIs	https://doi.org/10.1002/1096-987X(200012)21:16<1511::AID-JCC8>3.3.CO;2-3
Publication status	Published - 2000

Access to Document

10.1002/1096-987X(200012)21:16<1511::AID-JCC8>3.3.CO;2-3

Persistent URL (handle)

Copy link address

Cite this

van Gisbergen, S. J. A., Fonseca Guerra, C., & Baerends, E. J. (2000). Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory. Journal of Computational Chemistry, 21, 1511-1523. https://doi.org/10.1002/1096-987X(200012)21:16<1511::AID-JCC8>3.3.CO;2-3

@article{cda64792e6f64b199ab9129414741732,

title = "Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory.",

author = "{van Gisbergen}, S.J.A. and {Fonseca Guerra}, C. and E.J. Baerends",

year = "2000",

doi = "10.1002/1096-987X(200012)21:16<1511::AID-JCC8>3.3.CO;2-3",

language = "English",

volume = "21",

pages = "1511--1523",

journal = "Journal of Computational Chemistry",

issn = "0192-8651",

publisher = "John Wiley and Sons Inc.",

}

van Gisbergen, SJA, Fonseca Guerra, C & Baerends, EJ 2000, 'Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory.', Journal of Computational Chemistry, vol. 21, pp. 1511-1523. https://doi.org/10.1002/1096-987X(200012)21:16<1511::AID-JCC8>3.3.CO;2-3

Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory. / van Gisbergen, S.J.A.; Fonseca Guerra, C.; Baerends, E.J.
In: Journal of Computational Chemistry, Vol. 21, 2000, p. 1511-1523.

Research output: Contribution to Journal › Article › Academic › peer-review

TY - JOUR

T1 - Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory.

AU - van Gisbergen, S.J.A.

AU - Fonseca Guerra, C.

AU - Baerends, E.J.

PY - 2000

Y1 - 2000

U2 - 10.1002/1096-987X(200012)21:16<1511::AID-JCC8>3.3.CO;2-3

DO - 10.1002/1096-987X(200012)21:16<1511::AID-JCC8>3.3.CO;2-3

M3 - Article

SN - 0192-8651

VL - 21

SP - 1511

EP - 1523

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

ER -